ChemSpider 2D Image | Methyl (16beta,18beta)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate | C23H30N2O5

Methyl (16β,18β)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID57426041

  • defined stereocentres - 2 of 6 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(16β,18β)-18-Hydroxy-11,17-diméthoxyyohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (16β,18β)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(16β,18β)-18-hydroxy-11,17-dimethoxyjohimban-16-carboxylat [German] [ACD/IUPAC Name]
Yohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, methyl ester, (16β,18β)- [ACD/Index Name]
2901-66-8 [RN]
Methyl reserpate
Methyl reserpinolate

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 81464 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 587.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.3±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.82
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 15.35
ACD/KOC (pH 7.4): 180.41
Polar Surface Area: 84 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 313.6±5.0 cm3

Click to predict properties on the Chemicalize site


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